Knowledge-based protein secondary structure assignment

Knowledge-based protein secondary structure assignment
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DOI:
10.1002/prot.340230412
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发表时间:
1995-12-01
期刊:
PROTEINS-STRUCTURE FUNCTION AND GENETICS
影响因子:
--
通讯作者:
Argos, P
Argos, P
中科院分区:
其他
文献类型:
--
作者:
Frishman, D;Argos, P

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我们开发了一种基于氢键能和统计学推导的主链扭转角信息的蛋白质二级结构自动分配算法STRIDE。模式识别过程的参数使用晶体学家提供的名称作为真理标准进行优化。与Kabsch和Sander(Biopolymers 22:2577-2637,1983)目前最广泛使用的技术DSSP的比较表明,STRIDE和DSSP分别在我们的数据样本中的226条蛋白质链的58和31%中指定二级结构状态,与结构发现者提供的特定残基-残基定义更一致,而在11%的链中,指定是相同的。STRIDE描述了每11个螺旋和每32个链,与已发表的任务雅阁。(C)1995 Wiley-Liss,Inc.
We have developed an automatic algorithm STRIDE for protein secondary structure assignment from atomic coordinates based on the combined use of hydrogen bond energy and statistically derived backbone torsional angle information, Parameters of the pattern recognition procedure were optimized using designations provided by the crystallographers as a standard-of-truth. Comparison to the currently most widely used technique DSSP by Kabsch and Sander (Biopolymers 22:2577-2637, 1983) shows that STRIDE and DSSP assign secondary structural states in 58 and 31% of 226 protein chains in our data sample, respectively, in greater agreement with the specific residue-by-residue definitions provided by the discoverers of the structures while in 11% of the chains, the assignments are the same. STRIDE delineates every 11th helix and every 32nd strand more in accord with published assignments. (C) 1995 Wiley-Liss, Inc.